ChemSpider 2D Image | [3-(4,4-Dimethyl-1-pentyn-1-yl)-2-hydroxyphenyl]boronic acid | C13H17BO3

[3-(4,4-Dimethyl-1-pentyn-1-yl)-2-hydroxyphenyl]boronic acid

  • Molecular FormulaC13H17BO3
  • Average mass232.083 Da
  • Monoisotopic mass232.127075 Da
  • ChemSpider ID81581838

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[3-(4,4-Dimethyl-1-pentin-1-yl)-2-hydroxyphenyl]borsäure [German] [ACD/IUPAC Name]
[3-(4,4-Dimethyl-1-pentyn-1-yl)-2-hydroxyphenyl]boronic acid [ACD/IUPAC Name]
Acide [3-(4,4-diméthyl-1-pentyn-1-yl)-2-hydroxyphényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(4,4-dimethyl-1-pentyn-1-yl)-2-hydroxyphenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 402.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 197.3±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.92
ACD/KOC (pH 5.5): 1044.21
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 93.65
ACD/KOC (pH 7.4): 843.64
Polar Surface Area: 61 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 202.4±5.0 cm3

Click to predict properties on the Chemicalize site


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